New insights into structures, stability, and bonding of μ-allyl ligands coordinated with Pd-Pd and Pd-Pt fragments

Organometallics

Volumn 15, Issue 8, 1996, Pages 2089-2097

  Kurosawa, Hideo ^a   Hirako, Kazuyoshi ^a   Natsume, Satoko ^a   Ogoshi, Sensuke ^a   Kanehisa, Nobuko ^a   Kai, Yasushi ^a   Sakaki, Shigeyoshi ^b   Takeuchi, Kaori ^b  

^a OSAKA UNIVERSITY   (Japan)

^b KUMAMOTO UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001195084     PISSN: 02767333     EISSN: None     Source Type: Journal    
DOI: 10.1021/om950843c     Document Type: Article

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44. 5) gives rise to a somewhat larger dihedral angle (87°), which is larger than the MP2-optimized value by about 4°. The use of a basis set including no polarization function also yields a slightly larger dihedral angle (86°) even at the MP2 level. A method of quality higher than the MP2 optimization with a basis set including a d-polarization function would yield reasonable dihedral angle. Sakaki, S.; Kurosawa, H. To be submitted for publication.
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